CID 369353

4,4a,5,6-tetrahydro-4a-methyl-benzo(h)cinnolin-3(2h)-one

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC12CCC3=CC=CC=C3C1=NNC(=O)C2
InChI
InChI=1S/C13H14N2O/c1-13-7-6-9-4-2-3-5-10(9)12(13)15-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)
InChIKey
XXPJSJVCOUWWCD-UHFFFAOYSA-N
Compound name
4a-methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

214.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 149.3
[M+Na]+ 237.09983 163.2
[M+NH4]+ 232.14443 160.0
[M+K]+ 253.07377 153.5
[M-H]- 213.10333 151.6
[M+Na-2H]- 235.08528 156.2
[M]+ 214.11006 152.1
[M]- 214.11116 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe